1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine

C15H18ClN3S — CID 120909373

IUPAC1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1N
InChIInChI=1S/C15H18ClN3S/c1-10-6-19(8-14(10)17)7-13-9-20-15(18-13)11-2-4-12(16)5-3-11/h2-5,9-10,14H,6-8,17H2,1H3
InChIKeyJUAQWDGQJCUIJR-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.24
Rot. Bonds3

About 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine

1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine (PubChem CID 120909373) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
PubChem CID120909373
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1N
InChIInChI=1S/C15H18ClN3S/c1-10-6-19(8-14(10)17)7-13-9-20-15(18-13)11-2-4-12(16)5-3-11/h2-5,9-10,14H,6-8,17H2,1H3
InChIKeyJUAQWDGQJCUIJR-UHFFFAOYSA-N
XLogP3.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine
CID 166253779
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908908
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79992782
2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole
CID 55591542
N-[4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 120909382
1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909032
1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909269
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114681267
1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909833
2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 46083181
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine (CID 120909373) is 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1N.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is JUAQWDGQJCUIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-10-6-19(8-14(10)17)7-13-9-20-15(18-13)11-2-4-12(16)5-3-11/h2-5,9-10,14H,6-8,17H2,1H3.
What are the key properties of 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine?
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 307.85 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120909373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).